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CAS 208245-76-5 1,4-Diazepan-5-one hydrochloride molecular structure lightbox
CAS RN: 208245-76-5

1,4-Diazepan-5-one hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250616 200mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251012 1g In stock Shanghai Inquiry
Batchno.20260226 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251210 25g Out of stock Inquiry
Batchno.20250622 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-097934
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 208245-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

208245-76-5 / 1,4-diazepan-5-one;hydrochloride

Standard CAS: 208245-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208245-76-5
Multi CAS
No
Molecular Formula
C5H11ClN2O
Molecular Weight
150.610000
Exact Mass
150.055991
SMILES
C1CNCCNC1=O.Cl
InChI
InChI=1S/C5H10N2O.ClH/c8-5-1-2-6-3-4-7-5;/h6H,1-4H2,(H,7,8);1H
InChIKey
WOSZTROLFNNEIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.74
TPSA
41.13

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.48
Consensus LogP
-0.46
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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